P LATTICE,NONEQUIV.ATOMS 6 117 P-4b2 MODE OF CALC=RELA unit=bohr 16.742974 16.742974 12.585576 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.50000000 Z=0.50000000 MULT= 2 ISPLIT= 8 -1: X=0.50000000 Y=0.00000000 Z=0.50000000 Pb NPT= 781 R0=.000005000 RMT= 2.15 Z: 82.00000 LOCAL ROT MATRIX: 0.7071068 0.7071068 0.0000000 -0.7071068 0.7071068 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.00000000 Y=0.50000000 Z=0.00000000 MULT= 2 ISPLIT= 8 -2: X=0.50000000 Y=0.00000000 Z=0.00000000 Pb NPT= 781 R0=.000005000 RMT= 2.15 Z: 82.00000 LOCAL ROT MATRIX: 0.7071068 0.7071068 0.0000000 -0.7071068 0.7071068 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.16500000 Y=0.14000000 Z=0.25000000 MULT= 8 ISPLIT= 8 -3: X=0.14000000 Y=0.83500000 Z=0.75000000 -3: X=0.33500000 Y=0.64000000 Z=0.25000000 -3: X=0.83500000 Y=0.86000000 Z=0.25000000 -3: X=0.64000000 Y=0.66500000 Z=0.75000000 -3: X=0.86000000 Y=0.16500000 Z=0.75000000 -3: X=0.66500000 Y=0.36000000 Z=0.25000000 -3: X=0.36000000 Y=0.33500000 Z=0.75000000 Pb NPT= 781 R0=.000005000 RMT= 2.15 Z: 82.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.17000000 Y=0.67000000 Z=0.00000000 MULT= 4 ISPLIT= 8 -4: X=0.67000000 Y=0.83000000 Z=0.00000000 -4: X=0.33000000 Y=0.17000000 Z=0.00000000 -4: X=0.83000000 Y=0.33000000 Z=0.00000000 O NPT= 781 R0=.000100000 RMT= 1.76 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 0.7071068 0.7071068 0.0000000-0.7071068 0.7071068 1.0000000 0.0000000 0.0000000 ATOM -5: X=0.17000000 Y=0.67000000 Z=0.50000000 MULT= 4 ISPLIT= 8 -5: X=0.67000000 Y=0.83000000 Z=0.50000000 -5: X=0.33000000 Y=0.17000000 Z=0.50000000 -5: X=0.83000000 Y=0.33000000 Z=0.50000000 O NPT= 781 R0=.000100000 RMT= 1.76 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 0.7071068 0.7071068 0.0000000-0.7071068 0.7071068 1.0000000 0.0000000 0.0000000 ATOM -6: X=0.10000000 Y=0.40000000 Z=0.25000000 MULT= 8 ISPLIT= 8 -6: X=0.40000000 Y=0.90000000 Z=0.75000000 -6: X=0.40000000 Y=0.90000000 Z=0.25000000 -6: X=0.90000000 Y=0.60000000 Z=0.25000000 -6: X=0.90000000 Y=0.60000000 Z=0.75000000 -6: X=0.60000000 Y=0.10000000 Z=0.75000000 -6: X=0.60000000 Y=0.10000000 Z=0.25000000 -6: X=0.10000000 Y=0.40000000 Z=0.75000000 O NPT= 781 R0=.000100000 RMT= 1.76 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000